Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1179362-06-1 / 3-methoxypyridine-2-carboximidamide;hydrochloride
3-methoxypicolinimidamide hydrochloride | MFCD12755553 | 3-Methoxy-pyridine-2-carboxamidine hydrochloride
Basic Information
CAS
1179362-06-1
Multi CAS
Yes
Molecular Formula
C7H10ClN3O
Molecular Weight
187.630000
Exact Mass
187.051240
SMILES
COC1=C(N=CC=C1)C(=N)N.Cl
InChI
InChI=1S/C7H9N3O.ClH/c1-11-5-3-2-4-10-6(5)7(8)9;/h2-4H,1H3,(H3,8,9);1H
InChIKey
IRTIDNZANULWKI-UHFFFAOYSA-N
Synonyms
3-methoxypicolinimidamide hydrochloride
MFCD12755553
3-Methoxy-pyridine-2-carboxamidine hydrochloride
3-Methoxypyridine-2-carboximidamide hydrochloride
3-methoxypyridine-2-carboximidamide;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.05
TPSA
71.99
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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